Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL17169784 | 0.81 | TP53 (0.39) | ALDH1A1TSHR | |
| SCHEMBL3891997 | 0.81 | TP53 (0.39) | ALDH1A1TSHR | |
| SCHEMBL3272882 | 0.81 | TP53 (0.39) | ALDH1A1TSHR | |
| SCHEMBL3272876 | 0.81 | TP53 (0.39) | ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL3653513 | 0.79 | TP53 (0.38) | SMN1; SMN2ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL3653512 | 0.79 | TP53 (0.38) | SMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL15564432 | 0.79 | GAA (0.44) | SMN1; SMN2ALDH1A1EPHX1TSHR | |
| SCHEMBL10678127 | 0.79 | GAA (0.44) | SMN1; SMN2ALDH1A1EPHX1TSHR | |
| SCHEMBL10678116 | 0.79 | GAA (0.44) | SMN1; SMN2ALDH1A1EPHX1TSHR | |
| SCHEMBL7607616 | 0.76 | SMN1; SMN2 (0.50) | SMN1; SMN2ALDH1A1EPHX2EPHX1ATM |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110407855-A | 2- aminopyrimidine piperidine derivatives and its preparation method and application | SHANGHAI SIXIN BIOTECHNOLOGY CO LTD | 2019-11-05 | — | — | CN | disclosed |